SCHEMBL7329319

SCHEMBL7329319

CCOC(=O)COc1cccc(N(C)S(=O)(=O)c2ccccc2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 2/20 0.54
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
POLB P06746 1/20 0.53
MAPT P10636 2/20 0.49
NPSR1 Q6W5P4 3/20 0.49
GAA P10253 1/20 0.49
ALDH1A1 P00352 4/20 0.48
TSHR P16473 1/20 0.48
PPARG P37231 1/20 0.47
PPARA Q07869 1/20 0.47
GRM2 Q14416 1/20 0.47
TP53 P04637 2/20 0.47
THRB P10828 1/20 0.47
NPC1 O15118 1/20 0.47
HTT P42858 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HPGD P15428 1/20 0.46
NR1H3 Q13133 1/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7327551 0.87 ESR1 (0.55) MEN1KMT2AMAPTNPSR1GAA
SCHEMBL8542191 0.87 F2 (0.60) F2MEN1KMT2APOLBALDH1A1
SCHEMBL7333708 0.84 MAPT (0.60) MAPTALDH1A1PPARGPPARAGRM2
SCHEMBL7335613 0.83 RAB9A (0.51) MEN1KMT2AMAPTNPSR1GAA
SCHEMBL14878181 0.80 F2 (0.67) F2MEN1KMT2APOLBALDH1A1
SCHEMBL7327957 0.79 MEN1 (0.58) F2MEN1KMT2APOLBMAPT
SCHEMBL9863137 0.76 PPARA (0.67) MAPTNPSR1GAAALDH1A1TSHR
SCHEMBL7372648 0.76 GAA (0.57) MEN1KMT2APOLBMAPTNPSR1
SCHEMBL10186896 0.76 PGR (0.70) F2MAPTSMN1; SMN2NR1H3
SCHEMBL7325766 0.75 ALDH1A1 (0.58) F2MEN1KMT2APOLBMAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0687253-B1 4-AMINOPYRIDINES, PROCESS FOR PREPARING THE SAME AND MEDICAMENTS CONTAINING THE SAME BOEHRINGER MANNHEIM GMBH (DE) 1998-12-16 EP disclosed
EP-0687253-A1 NEW 4-AMINOPYRIDINES, PROCESS FOR PREPARING THE SAME AND MEDICAMENTS CONTAINING THE SAME Roche Diagnostics GmbH (DE) 1995-12-20 EP disclosed
WO-1994020467-A1 NEW 4-AMINOPYRIDINES, PROCESS FOR PREPARING THE SAME AND MEDICAMENTS CONTAINING THE SAME BOEHRINGER MANNHEIM GMBH (DE) 1994-09-15 WO disclosed